HMDB0002902 RDKit 3D delta-Tocopherol 75 76 0 0 0 0 0 0 0 0999 V2000 4.9882 2.7981 -1.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0358 2.3133 -0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9346 3.2219 -0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9048 2.8013 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8471 3.6802 1.2001 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9287 1.4436 0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0188 0.5487 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0467 0.9817 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 0.0522 -0.9287 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6931 -1.0488 -0.1546 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6768 -2.3286 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 -0.7178 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 -0.4725 -0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 -0.1359 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -1.2083 0.4511 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2154 -2.5178 -0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 -0.8118 0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9623 -0.5344 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3702 -0.1260 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1119 -1.1163 0.8659 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3363 -2.4331 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3127 -0.6175 1.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4473 -0.0174 0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3072 1.2475 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6540 1.6851 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6704 1.8874 0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1112 0.7301 -1.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5811 -1.3036 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0135 -0.8992 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4001 3.5670 -2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1718 3.2274 -1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5521 1.9480 -2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8992 4.2603 -0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6290 4.1558 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6870 1.0882 1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2136 -2.1940 -1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -3.1086 -0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 -2.6023 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -1.5245 1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 0.2082 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 -1.3440 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 0.3827 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3962 -0.0572 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8638 0.8237 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.3996 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 -3.1848 -0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6791 -3.1145 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -2.3546 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 -1.6322 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9699 0.1233 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 -1.3861 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 0.3438 -0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8784 -0.0925 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3885 0.8954 0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4578 -1.5050 1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3349 -2.8935 -0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8161 -2.2692 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8758 -3.1127 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 -1.4648 2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9398 0.1050 2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9507 -0.8173 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2382 0.1905 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5959 1.1876 -0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0572 2.0925 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4657 2.6707 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2197 0.9610 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4339 2.6542 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1362 2.2954 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3987 -0.0719 -1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0781 0.2636 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3433 1.2360 -2.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 -0.7186 1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5689 -2.3699 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4778 -1.4842 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5684 -1.0798 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 6 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 10 28 1 0 28 29 1 0 8 2 1 0 29 7 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 5 34 1 0 6 35 1 0 11 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 1 16 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 1 21 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 23 61 1 0 23 62 1 0 24 63 1 0 24 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 27 70 1 0 27 71 1 0 28 72 1 0 28 73 1 0 29 74 1 0 29 75 1 0 M END